(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide

C15H17N5OS — CID 97155442

IUPAC(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCC[C@@H](C(=O)NCc1cn[nH]c1-c1cccs1)n1cccn1
InChIInChI=1S/C15H17N5OS/c1-2-12(20-7-4-6-18-20)15(21)16-9-11-10-17-19-14(11)13-5-3-8-22-13/h3-8,10,12H,2,9H2,1H3,(H,16,21)(H,17,19)/t12-/m0/s1
InChIKeyIVVSNQVKYIUVQO-LBPRGKRZSA-N
MW315.40 g/mol
LogP2.60
Rot. Bonds6

About (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide

(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide (PubChem CID 97155442) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
PubChem CID97155442
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCC[C@@H](C(=O)NCc1cn[nH]c1-c1cccs1)n1cccn1
InChIInChI=1S/C15H17N5OS/c1-2-12(20-7-4-6-18-20)15(21)16-9-11-10-17-19-14(11)13-5-3-8-22-13/h3-8,10,12H,2,9H2,1H3,(H,16,21)(H,17,19)/t12-/m0/s1
InChIKeyIVVSNQVKYIUVQO-LBPRGKRZSA-N
XLogP2.60
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide?
The IUPAC name of (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide (CID 97155442) is (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide is CC[C@@H](C(=O)NCc1cn[nH]c1-c1cccs1)n1cccn1.
What is the InChIKey of (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide?
The InChIKey is IVVSNQVKYIUVQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-12(20-7-4-6-18-20)15(21)16-9-11-10-17-19-14(11)13-5-3-8-22-13/h3-8,10,12H,2,9H2,1H3,(H,16,21)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide?
(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide has a molecular weight of 315.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 97155442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).