N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H20N4O — CID 119613012

IUPACN-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(CN)C2CC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-7(2)9-5-10(16-15-9)12(17)14-11(6-13)8-3-4-8/h5,7-8,11H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyPTGRYJZDPDWHPO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.00
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 119613012) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID119613012
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(CN)C2CC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-7(2)9-5-10(16-15-9)12(17)14-11(6-13)8-3-4-8/h5,7-8,11H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyPTGRYJZDPDWHPO-UHFFFAOYSA-N
XLogP1.00
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 119613012) is N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC(CN)C2CC2)n[nH]1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PTGRYJZDPDWHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)9-5-10(16-15-9)12(17)14-11(6-13)8-3-4-8/h5,7-8,11H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119613012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).