(3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide

C14H21N5O — CID 164632323

IUPAC(3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide
SMILESCCCn1ncc(C)c1NC(=O)C[C@H](C)n1cccn1
InChIInChI=1S/C14H21N5O/c1-4-7-19-14(11(2)10-16-19)17-13(20)9-12(3)18-8-5-6-15-18/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyGFRJWBSDKTTZRL-LBPRGKRZSA-N
MW275.36 g/mol
LogP2.39
Rot. Bonds6

About (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide

(3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide (PubChem CID 164632323) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide
PubChem CID164632323
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide
SMILESCCCn1ncc(C)c1NC(=O)C[C@H](C)n1cccn1
InChIInChI=1S/C14H21N5O/c1-4-7-19-14(11(2)10-16-19)17-13(20)9-12(3)18-8-5-6-15-18/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyGFRJWBSDKTTZRL-LBPRGKRZSA-N
XLogP2.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide (CID 164632323) is (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide is CCCn1ncc(C)c1NC(=O)C[C@H](C)n1cccn1.
What is the InChIKey of (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide?
The InChIKey is GFRJWBSDKTTZRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-7-19-14(11(2)10-16-19)17-13(20)9-12(3)18-8-5-6-15-18/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide?
(3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide has a molecular weight of 275.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 164632323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).