4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine

C16H29N3 — CID 64784785

IUPAC4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H29N3/c1-4-10-17-14(3)13(2)12-15-9-11-19(18-15)16-7-5-6-8-16/h9,11,13-14,16-17H,4-8,10,12H2,1-3H3
InChIKeyANHWUIPILGZLLU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds7

About 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine

4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine (PubChem CID 64784785) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
PubChem CID64784785
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H29N3/c1-4-10-17-14(3)13(2)12-15-9-11-19(18-15)16-7-5-6-8-16/h9,11,13-14,16-17H,4-8,10,12H2,1-3H3
InChIKeyANHWUIPILGZLLU-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798023
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007
N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 64783953
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine (CID 64784785) is 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine is CCCNC(C)C(C)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine?
The InChIKey is ANHWUIPILGZLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-10-17-14(3)13(2)12-15-9-11-19(18-15)16-7-5-6-8-16/h9,11,13-14,16-17H,4-8,10,12H2,1-3H3.
What are the key properties of 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine?
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 64784785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).