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

C14H22N4O2 — CID 121279532

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C14H22N4O2/c1-4-13(19)15-10-5-6-18(8-10)14(20)12-7-11(9(2)3)16-17-12/h7,9-10H,4-6,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyMGXMSHAYYGXJLQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.27
Rot. Bonds4

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

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide (PubChem CID 121279532) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
PubChem CID121279532
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C14H22N4O2/c1-4-13(19)15-10-5-6-18(8-10)14(20)12-7-11(9(2)3)16-17-12/h7,9-10H,4-6,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyMGXMSHAYYGXJLQ-UHFFFAOYSA-N
XLogP1.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]propanamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide (CID 121279532) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide is CCC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide?
The InChIKey is MGXMSHAYYGXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-13(19)15-10-5-6-18(8-10)14(20)12-7-11(9(2)3)16-17-12/h7,9-10H,4-6,8H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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]propanamide is sourced from PubChem (CID 121279532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).