(4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C10H16N4O2 — CID 96995603

IUPAC(4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2CCC[C@@H]2CO)n1
InChIInChI=1S/C10H16N4O2/c1-13-5-8(11)9(12-13)10(16)14-4-2-3-7(14)6-15/h5,7,15H,2-4,6,11H2,1H3/t7-/m1/s1
InChIKeyRFMPWCPNWGCKBQ-SSDOTTSWSA-N
MW224.26 g/mol
LogP-0.40
Rot. Bonds2

About (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 96995603) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID96995603
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2CCC[C@@H]2CO)n1
InChIInChI=1S/C10H16N4O2/c1-13-5-8(11)9(12-13)10(16)14-4-2-3-7(14)6-15/h5,7,15H,2-4,6,11H2,1H3/t7-/m1/s1
InChIKeyRFMPWCPNWGCKBQ-SSDOTTSWSA-N
XLogP-0.40
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 96995603) is (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cn1cc(N)c(C(=O)N2CCC[C@@H]2CO)n1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RFMPWCPNWGCKBQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-5-8(11)9(12-13)10(16)14-4-2-3-7(14)6-15/h5,7,15H,2-4,6,11H2,1H3/t7-/m1/s1.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 224.26 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96995603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).