N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6 — CID 95709498

IUPACN-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC[C@H](C)n2cc(C)cn2)n2nccc2n1
InChIInChI=1S/C16H22N6/c1-4-5-14-8-16(22-15(20-14)6-7-18-22)17-10-13(3)21-11-12(2)9-19-21/h6-9,11,13,17H,4-5,10H2,1-3H3/t13-/m0/s1
InChIKeyMMVVJECNPSLKRI-ZDUSSCGKSA-N
MW298.39 g/mol
LogP2.86
Rot. Bonds6

About N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95709498) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95709498
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC[C@H](C)n2cc(C)cn2)n2nccc2n1
InChIInChI=1S/C16H22N6/c1-4-5-14-8-16(22-15(20-14)6-7-18-22)17-10-13(3)21-11-12(2)9-19-21/h6-9,11,13,17H,4-5,10H2,1-3H3/t13-/m0/s1
InChIKeyMMVVJECNPSLKRI-ZDUSSCGKSA-N
XLogP2.86
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70710880
trans-(1S,3S)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502890
5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95895895
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914218
2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(furan-2-yl)ethanol
CID 70720346
5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 86654661
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888835
N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70762722
(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 56904558
3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95869952

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95709498) is N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NC[C@H](C)n2cc(C)cn2)n2nccc2n1.
What is the InChIKey of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MMVVJECNPSLKRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6/c1-4-5-14-8-16(22-15(20-14)6-7-18-22)17-10-13(3)21-11-12(2)9-19-21/h6-9,11,13,17H,4-5,10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).