5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide

C20H27N5O — CID 118669450

IUPAC5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(C2CCc3ccccc3C2)nn(C[C@H](N)CC2CC2)c1N
InChIInChI=1S/C20H27N5O/c21-16(9-12-5-6-12)11-25-19(22)17(20(23)26)18(24-25)15-8-7-13-3-1-2-4-14(13)10-15/h1-4,12,15-16H,5-11,21-22H2,(H2,23,26)/t15?,16-/m1/s1
InChIKeyKYTBEWLDWAWPPY-OEMAIJDKSA-N
MW353.47 g/mol
LogP1.96
Rot. Bonds6

About 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide

5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide (PubChem CID 118669450) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
PubChem CID118669450
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(C2CCc3ccccc3C2)nn(C[C@H](N)CC2CC2)c1N
InChIInChI=1S/C20H27N5O/c21-16(9-12-5-6-12)11-25-19(22)17(20(23)26)18(24-25)15-8-7-13-3-1-2-4-14(13)10-15/h1-4,12,15-16H,5-11,21-22H2,(H2,23,26)/t15?,16-/m1/s1
InChIKeyKYTBEWLDWAWPPY-OEMAIJDKSA-N
XLogP1.96
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 118669690
5-amino-1-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 118669468
5-amino-1-(morpholin-2-ylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 175017160
5-amino-1-[[2-(prop-2-enoylamino)phenyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide;ethane
CID 144997838
5-amino-1-[[(2S)-4,4-difluoro-1-prop-2-enoylpyrrolidin-2-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 118669589
5-amino-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazole-4-carboxamide
CID 118669492
5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide
CID 144997723
2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid
CID 107127904
tert-butyl (2S)-2-[[5-amino-4-cyano-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 118669573
5-amino-3-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide;1-pyrrolidin-1-ylprop-2-en-1-one
CID 144997737
1-[(2S)-2-[[4-acetyl-5-methyl-3-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]prop-2-en-1-one
CID 118669595
2-amino-3-cyclopropyl-1-phenylpropan-1-one
CID 82404437

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide (CID 118669450) is 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide is NC(=O)c1c(C2CCc3ccccc3C2)nn(C[C@H](N)CC2CC2)c1N.
What is the InChIKey of 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The InChIKey is KYTBEWLDWAWPPY-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H27N5O/c21-16(9-12-5-6-12)11-25-19(22)17(20(23)26)18(24-25)15-8-7-13-3-1-2-4-14(13)10-15/h1-4,12,15-16H,5-11,21-22H2,(H2,23,26)/t15?,16-/m1/s1.
What are the key properties of 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 118669450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).