1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol

C13H22N4O — CID 55131179

IUPAC1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
SMILESCc1nn(C)c(N2CCC(O)C2)c1CNC1CC1
InChIInChI=1S/C13H22N4O/c1-9-12(7-14-10-3-4-10)13(16(2)15-9)17-6-5-11(18)8-17/h10-11,14,18H,3-8H2,1-2H3
InChIKeyPJCKYZZFZBWBGN-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.55
Rot. Bonds4

About 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol

1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol (PubChem CID 55131179) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
PubChem CID55131179
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
SMILESCc1nn(C)c(N2CCC(O)C2)c1CNC1CC1
InChIInChI=1S/C13H22N4O/c1-9-12(7-14-10-3-4-10)13(16(2)15-9)17-6-5-11(18)8-17/h10-11,14,18H,3-8H2,1-2H3
InChIKeyPJCKYZZFZBWBGN-UHFFFAOYSA-N
XLogP0.55
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol (CID 55131179) is 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol is Cc1nn(C)c(N2CCC(O)C2)c1CNC1CC1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
The InChIKey is PJCKYZZFZBWBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(7-14-10-3-4-10)13(16(2)15-9)17-6-5-11(18)8-17/h10-11,14,18H,3-8H2,1-2H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol has a molecular weight of 250.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 55131179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).