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

C17H24N6O2 — CID 121279436

IUPAC1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C17H24N6O2/c1-4-23-8-6-13(21-23)16(24)18-12-5-7-22(10-12)17(25)15-9-14(11(2)3)19-20-15/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyNGMPSRLNXVCESZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.39
Rot. Bonds5

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

1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 121279436) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID121279436
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C17H24N6O2/c1-4-23-8-6-13(21-23)16(24)18-12-5-7-22(10-12)17(25)15-9-14(11(2)3)19-20-15/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyNGMPSRLNXVCESZ-UHFFFAOYSA-N
XLogP1.39
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide with MolForge

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 59
CID 121279710
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
US10022354, Example 58
CID 132070185
US10022354, Example 239
CID 121279651
US10022354, Example 200
CID 132070229
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 137634783

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 121279436) is 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is NGMPSRLNXVCESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-23-8-6-13(21-23)16(24)18-12-5-7-22(10-12)17(25)15-9-14(11(2)3)19-20-15/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,18,24)(H,19,20).
What are the key properties of 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 121279436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).