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

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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).