(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone

C17H20N4O — CID 156605171

IUPAC(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESNC1CN(C(=O)c2cnn(-c3ccccc3)c2)CC1C1CC1
InChIInChI=1S/C17H20N4O/c18-16-11-20(10-15(16)12-6-7-12)17(22)13-8-19-21(9-13)14-4-2-1-3-5-14/h1-5,8-9,12,15-16H,6-7,10-11,18H2
InChIKeySDZZWFKDSWOCBD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.68
Rot. Bonds3

About (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone

(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 156605171) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID156605171
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESNC1CN(C(=O)c2cnn(-c3ccccc3)c2)CC1C1CC1
InChIInChI=1S/C17H20N4O/c18-16-11-20(10-15(16)12-6-7-12)17(22)13-8-19-21(9-13)14-4-2-1-3-5-14/h1-5,8-9,12,15-16H,6-7,10-11,18H2
InChIKeySDZZWFKDSWOCBD-UHFFFAOYSA-N
XLogP1.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 103575963
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119075063
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72901260
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 70764759
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72932681
(3aS,6aR)-2-(1-phenylpyrazole-4-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683679
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone (CID 156605171) is (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone is NC1CN(C(=O)c2cnn(-c3ccccc3)c2)CC1C1CC1.
What is the InChIKey of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is SDZZWFKDSWOCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-16-11-20(10-15(16)12-6-7-12)17(22)13-8-19-21(9-13)14-4-2-1-3-5-14/h1-5,8-9,12,15-16H,6-7,10-11,18H2.
What are the key properties of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 156605171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).