5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H19N5O2 — CID 167908806

IUPAC5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)cc(CNC(CO)C3CCCC3)nc12
InChIInChI=1S/C15H19N5O2/c16-6-11-7-18-20-14(22)5-12(19-15(11)20)8-17-13(9-21)10-3-1-2-4-10/h5,7,10,13,17-18,21H,1-4,8-9H2
InChIKeyKBMRYSHQQGFXAI-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.53
Rot. Bonds5

About 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 167908806) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID167908806
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)cc(CNC(CO)C3CCCC3)nc12
InChIInChI=1S/C15H19N5O2/c16-6-11-7-18-20-14(22)5-12(19-15(11)20)8-17-13(9-21)10-3-1-2-4-10/h5,7,10,13,17-18,21H,1-4,8-9H2
InChIKeyKBMRYSHQQGFXAI-UHFFFAOYSA-N
XLogP0.53
TPSA106.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(4-ethylphenyl)ethylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167914588
5-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167855187
5-[[[3-methyl-1-(2-propoxyphenyl)butyl]amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167820537
5-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 55727647
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167974040
(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 4-methoxybenzoate
CID 167743320
5-[(8-methyl-6-oxa-9-azaspiro[4.5]decan-9-yl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167880862
(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 6-methoxypyrazine-2-carboxylate
CID 167756699
5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908453
5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90111856
5-[[(3,5-dichloro-2-pyridinyl)methyl-methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166375769
5-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 46479460

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 167908806) is 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c[nH]n2c(=O)cc(CNC(CO)C3CCCC3)nc12.
What is the InChIKey of 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is KBMRYSHQQGFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-6-11-7-18-20-14(22)5-12(19-15(11)20)8-17-13(9-21)10-3-1-2-4-10/h5,7,10,13,17-18,21H,1-4,8-9H2.
What are the key properties of 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 167908806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).