3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine

C15H22N6 — CID 170418852

IUPAC3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine
SMILESCC(c1cc(NC2CCN(N)C2)n2nccc2n1)C1CC1
InChIInChI=1S/C15H22N6/c1-10(11-2-3-11)13-8-15(18-12-5-7-20(16)9-12)21-14(19-13)4-6-17-21/h4,6,8,10-12,18H,2-3,5,7,9,16H2,1H3
InChIKeyDMHCUKSMISYPKD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds4

About 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine

3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine (PubChem CID 170418852) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine.

Molecular Properties

Compound Name3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine
PubChem CID170418852
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine
SMILESCC(c1cc(NC2CCN(N)C2)n2nccc2n1)C1CC1
InChIInChI=1S/C15H22N6/c1-10(11-2-3-11)13-8-15(18-12-5-7-20(16)9-12)21-14(19-13)4-6-17-21/h4,6,8,10-12,18H,2-3,5,7,9,16H2,1H3
InChIKeyDMHCUKSMISYPKD-UHFFFAOYSA-N
XLogP1.60
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170418529
(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418395
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 95729043
trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 162370702
trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409638
trans-(1S,3S)-1-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 172840602
trans-(1S,3S)-3-N-[3-chloro-5-[(1R)-1-cyclopropylethyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409632
tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate
CID 146502802
5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 170419102
trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1-N-(2-piperazin-1-ylethyl)cyclopentane-1,3-diamine;dihydrochloride
CID 172860017
tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
CID 146502762
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56895664

Frequently Asked Questions

What is the IUPAC name of 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine?
The IUPAC name of 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine (CID 170418852) is 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine.
What is the SMILES notation for 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine?
The canonical SMILES for 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine is CC(c1cc(NC2CCN(N)C2)n2nccc2n1)C1CC1.
What is the InChIKey of 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine?
The InChIKey is DMHCUKSMISYPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10(11-2-3-11)13-8-15(18-12-5-7-20(16)9-12)21-14(19-13)4-6-17-21/h4,6,8,10-12,18H,2-3,5,7,9,16H2,1H3.
What are the key properties of 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine?
3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine is sourced from PubChem (CID 170418852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).