3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide

C11H20N4O2 — CID 54998500

IUPAC3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C11H20N4O2/c1-7(2)15(5-4-6-16)11(17)9-8(3)13-14-10(9)12/h7,16H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeyUFOHHLPIQRIONS-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.53
Rot. Bonds5

About 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide

3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 54998500) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID54998500
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C11H20N4O2/c1-7(2)15(5-4-6-16)11(17)9-8(3)13-14-10(9)12/h7,16H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeyUFOHHLPIQRIONS-UHFFFAOYSA-N
XLogP0.53
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide (CID 54998500) is 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(CCCO)C(C)C.
What is the InChIKey of 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is UFOHHLPIQRIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)15(5-4-6-16)11(17)9-8(3)13-14-10(9)12/h7,16H,4-6H2,1-3H3,(H3,12,13,14).
What are the key properties of 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxypropyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54998500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).