(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C17H30N4 — CID 97337709

IUPAC(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1CN[C@@H]1CCN(CC2CCCC2)C1
InChIInChI=1S/C17H30N4/c1-13-17(14(2)20(3)19-13)10-18-16-8-9-21(12-16)11-15-6-4-5-7-15/h15-16,18H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyOWERHZXNVDMZHD-MRXNPFEDSA-N
MW290.45 g/mol
LogP2.39
Rot. Bonds5

About (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 97337709) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID97337709
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1CN[C@@H]1CCN(CC2CCCC2)C1
InChIInChI=1S/C17H30N4/c1-13-17(14(2)20(3)19-13)10-18-16-8-9-21(12-16)11-15-6-4-5-7-15/h15-16,18H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyOWERHZXNVDMZHD-MRXNPFEDSA-N
XLogP2.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 111469527
2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110909251
1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 103614691
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 63359786
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 75494809
1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine
CID 43614829
N-cyclopropyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 79238625
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136528797
2,6-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83007008
2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 61239722
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 97337709) is (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is Cc1nn(C)c(C)c1CN[C@@H]1CCN(CC2CCCC2)C1.
What is the InChIKey of (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is OWERHZXNVDMZHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30N4/c1-13-17(14(2)20(3)19-13)10-18-16-8-9-21(12-16)11-15-6-4-5-7-15/h15-16,18H,4-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97337709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).