N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine

C14H27N3 — CID 66440544

IUPACN-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1C(C)CC
InChIInChI=1S/C14H27N3/c1-6-8-14-13(9-15-11(3)4)10-16-17(14)12(5)7-2/h10-12,15H,6-9H2,1-5H3
InChIKeyVRWQPVAALRSRHR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.30
Rot. Bonds7

About N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 66440544) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID66440544
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1C(C)CC
InChIInChI=1S/C14H27N3/c1-6-8-14-13(9-15-11(3)4)10-16-17(14)12(5)7-2/h10-12,15H,6-9H2,1-5H3
InChIKeyVRWQPVAALRSRHR-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine (CID 66440544) is N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)cnn1C(C)CC.
What is the InChIKey of N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is VRWQPVAALRSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-8-14-13(9-15-11(3)4)10-16-17(14)12(5)7-2/h10-12,15H,6-9H2,1-5H3.
What are the key properties of N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66440544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).