5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide

C19H25N5O — CID 118669690

IUPAC5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
SMILESNCC1(Cn2nc(C3CCc4ccccc4C3)c(C(N)=O)c2N)CC1
InChIInChI=1S/C19H25N5O/c20-10-19(7-8-19)11-24-17(21)15(18(22)25)16(23-24)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14H,5-11,20-21H2,(H2,22,25)
InChIKeyZXTLYHGUTBRRMZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.58
Rot. Bonds5

About 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide

5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide (PubChem CID 118669690) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
PubChem CID118669690
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
SMILESNCC1(Cn2nc(C3CCc4ccccc4C3)c(C(N)=O)c2N)CC1
InChIInChI=1S/C19H25N5O/c20-10-19(7-8-19)11-24-17(21)15(18(22)25)16(23-24)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14H,5-11,20-21H2,(H2,22,25)
InChIKeyZXTLYHGUTBRRMZ-UHFFFAOYSA-N
XLogP1.58
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide (CID 118669690) is 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide is NCC1(Cn2nc(C3CCc4ccccc4C3)c(C(N)=O)c2N)CC1.
What is the InChIKey of 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The InChIKey is ZXTLYHGUTBRRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-10-19(7-8-19)11-24-17(21)15(18(22)25)16(23-24)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14H,5-11,20-21H2,(H2,22,25).
What are the key properties of 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 118669690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).