1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile

C16H18N6 — CID 126947753

IUPAC1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(Cc3ccnc(C4CC4)n3)C2)c1
InChIInChI=1S/C16H18N6/c17-7-12-8-19-22(9-12)15-4-6-21(11-15)10-14-3-5-18-16(20-14)13-1-2-13/h3,5,8-9,13,15H,1-2,4,6,10-11H2
InChIKeyAETXVBMNPFNNCZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947753) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947753
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(Cc3ccnc(C4CC4)n3)C2)c1
InChIInChI=1S/C16H18N6/c17-7-12-8-19-22(9-12)15-4-6-21(11-15)10-14-3-5-18-16(20-14)13-1-2-13/h3,5,8-9,13,15H,1-2,4,6,10-11H2
InChIKeyAETXVBMNPFNNCZ-UHFFFAOYSA-N
XLogP1.87
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947750
1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948716
1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947766
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947684
1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900756
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947667
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900704
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963
1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947839
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893944

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947753) is 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CCN(Cc3ccnc(C4CC4)n3)C2)c1.
What is the InChIKey of 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is AETXVBMNPFNNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c17-7-12-8-19-22(9-12)15-4-6-21(11-15)10-14-3-5-18-16(20-14)13-1-2-13/h3,5,8-9,13,15H,1-2,4,6,10-11H2.
What are the key properties of 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).