N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide

C9H17N3O — CID 163935981

IUPACN-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C9H17N3O/c1-7-5-6-12(11-7)8(13)10-9(2,3)4/h5-6H2,1-4H3,(H,10,13)
InChIKeyRMVPQLBMLQCMTP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds

About N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide

N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 163935981) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID163935981
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C9H17N3O/c1-7-5-6-12(11-7)8(13)10-9(2,3)4/h5-6H2,1-4H3,(H,10,13)
InChIKeyRMVPQLBMLQCMTP-UHFFFAOYSA-N
XLogP1.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-3,4-dihydropyrazole-2-carboxamide
CID 558088
2-Butyl-5-isopropyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 169502324
N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide
CID 67944750
5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide
CID 163764972
N-ethyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
CID 175248822
5-(3-aminopropyl)-2-tert-butyl-4H-1,2,4-triazol-3-one
CID 136982061

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide (CID 163935981) is N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is RMVPQLBMLQCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-5-6-12(11-7)8(13)10-9(2,3)4/h5-6H2,1-4H3,(H,10,13).
What are the key properties of N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 163935981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).