3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide

C17H17N5O — CID 171792291

IUPAC3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2cc(C3(N)CC3)c3ccccc3n2)n[nH]1
InChIInChI=1S/C17H17N5O/c1-19-16(23)15-9-14(21-22-15)13-8-11(17(18)6-7-17)10-4-2-3-5-12(10)20-13/h2-5,8-9H,6-7,18H2,1H3,(H,19,23)(H,21,22)
InChIKeyAZQVRLGYDHBICG-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.93
Rot. Bonds3

About 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide

3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 171792291) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID171792291
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2cc(C3(N)CC3)c3ccccc3n2)n[nH]1
InChIInChI=1S/C17H17N5O/c1-19-16(23)15-9-14(21-22-15)13-8-11(17(18)6-7-17)10-4-2-3-5-12(10)20-13/h2-5,8-9H,6-7,18H2,1H3,(H,19,23)(H,21,22)
InChIKeyAZQVRLGYDHBICG-UHFFFAOYSA-N
XLogP1.93
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide (CID 171792291) is 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide is CNC(=O)c1cc(-c2cc(C3(N)CC3)c3ccccc3n2)n[nH]1.
What is the InChIKey of 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is AZQVRLGYDHBICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-19-16(23)15-9-14(21-22-15)13-8-11(17(18)6-7-17)10-4-2-3-5-12(10)20-13/h2-5,8-9H,6-7,18H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclopropyl)quinolin-2-yl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 171792291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).