N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide

C20H25N5O2 — CID 121279625

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4cccnc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H25N5O2/c1-13(2)16-10-17(24-23-16)18(26)25-9-5-15(12-25)22-19(27)20(6-7-20)14-4-3-8-21-11-14/h3-4,8,10-11,13,15H,5-7,9,12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyWNIWDZJVPGBSSS-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.99
Rot. Bonds5

About N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 121279625) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID121279625
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4cccnc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H25N5O2/c1-13(2)16-10-17(24-23-16)18(26)25-9-5-15(12-25)22-19(27)20(6-7-20)14-4-3-8-21-11-14/h3-4,8,10-11,13,15H,5-7,9,12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyWNIWDZJVPGBSSS-UHFFFAOYSA-N
XLogP1.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide (CID 121279625) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4cccnc4)CC3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is WNIWDZJVPGBSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)16-10-17(24-23-16)18(26)25-9-5-15(12-25)22-19(27)20(6-7-20)14-4-3-8-21-11-14/h3-4,8,10-11,13,15H,5-7,9,12H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 121279625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).