1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol

C8H14N4O — CID 103078450

IUPAC1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol
SMILESCn1cc(N)c(N2CCC(O)C2)n1
InChIInChI=1S/C8H14N4O/c1-11-5-7(9)8(10-11)12-3-2-6(13)4-12/h5-6,13H,2-4,9H2,1H3
InChIKeyHMWSKMXRKQJCQG-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.43
Rot. Bonds1

About 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol

1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol (PubChem CID 103078450) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol
PubChem CID103078450
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol
SMILESCn1cc(N)c(N2CCC(O)C2)n1
InChIInChI=1S/C8H14N4O/c1-11-5-7(9)8(10-11)12-3-2-6(13)4-12/h5-6,13H,2-4,9H2,1H3
InChIKeyHMWSKMXRKQJCQG-UHFFFAOYSA-N
XLogP-0.43
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol (CID 103078450) is 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol is Cn1cc(N)c(N2CCC(O)C2)n1.
What is the InChIKey of 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol?
The InChIKey is HMWSKMXRKQJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11-5-7(9)8(10-11)12-3-2-6(13)4-12/h5-6,13H,2-4,9H2,1H3.
What are the key properties of 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol?
1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol has a molecular weight of 182.23 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103078450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).