N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine

C13H22N4 — CID 114144133

IUPACN-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
SMILESCn1ccc(CCN2CCC(NC3CC3)C2)n1
InChIInChI=1S/C13H22N4/c1-16-7-4-12(15-16)5-8-17-9-6-13(10-17)14-11-2-3-11/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyCAGMNVPIOFTXSF-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.79
Rot. Bonds5

About N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine

N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine (PubChem CID 114144133) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
PubChem CID114144133
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
SMILESCn1ccc(CCN2CCC(NC3CC3)C2)n1
InChIInChI=1S/C13H22N4/c1-16-7-4-12(15-16)5-8-17-9-6-13(10-17)14-11-2-3-11/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyCAGMNVPIOFTXSF-UHFFFAOYSA-N
XLogP0.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 82866259
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184
3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 82874672
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
CID 82870522
(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 124742218
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine (CID 114144133) is N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine is Cn1ccc(CCN2CCC(NC3CC3)C2)n1.
What is the InChIKey of N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is CAGMNVPIOFTXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-7-4-12(15-16)5-8-17-9-6-13(10-17)14-11-2-3-11/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 114144133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).