N,1-di(propan-2-yl)pyrazol-3-amine

C9H17N3 — CID 130477356

IUPACN,1-di(propan-2-yl)pyrazol-3-amine
SMILESCC(C)Nc1ccn(C(C)C)n1
InChIInChI=1S/C9H17N3/c1-7(2)10-9-5-6-12(11-9)8(3)4/h5-8H,1-4H3,(H,10,11)
InChIKeyAODJMYOBVPHNDP-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.28
Rot. Bonds3

About N,1-di(propan-2-yl)pyrazol-3-amine

N,1-di(propan-2-yl)pyrazol-3-amine (PubChem CID 130477356) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,1-di(propan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound NameN,1-di(propan-2-yl)pyrazol-3-amine
PubChem CID130477356
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,1-di(propan-2-yl)pyrazol-3-amine
SMILESCC(C)Nc1ccn(C(C)C)n1
InChIInChI=1S/C9H17N3/c1-7(2)10-9-5-6-12(11-9)8(3)4/h5-8H,1-4H3,(H,10,11)
InChIKeyAODJMYOBVPHNDP-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine
CID 114251941
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine
CID 114094321
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
CID 115921806
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
CID 130496011
4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 146129104
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 114252199
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798

Frequently Asked Questions

What is the IUPAC name of N,1-di(propan-2-yl)pyrazol-3-amine?
The IUPAC name of N,1-di(propan-2-yl)pyrazol-3-amine (CID 130477356) is N,1-di(propan-2-yl)pyrazol-3-amine.
What is the SMILES notation for N,1-di(propan-2-yl)pyrazol-3-amine?
The canonical SMILES for N,1-di(propan-2-yl)pyrazol-3-amine is CC(C)Nc1ccn(C(C)C)n1.
What is the InChIKey of N,1-di(propan-2-yl)pyrazol-3-amine?
The InChIKey is AODJMYOBVPHNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)10-9-5-6-12(11-9)8(3)4/h5-8H,1-4H3,(H,10,11).
What are the key properties of N,1-di(propan-2-yl)pyrazol-3-amine?
N,1-di(propan-2-yl)pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 130477356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).