N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine

C14H26N4 — CID 43280696

IUPACN-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCCCCN(C)c1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C14H26N4/c1-5-6-9-17(3)14-13(10-15-12-7-8-12)11(2)16-18(14)4/h12,15H,5-10H2,1-4H3
InChIKeySGHFWDCWZDKRBZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds7

About N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine

N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine (PubChem CID 43280696) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine
PubChem CID43280696
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCCCCN(C)c1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C14H26N4/c1-5-6-9-17(3)14-13(10-15-12-7-8-12)11(2)16-18(14)4/h12,15H,5-10H2,1-4H3
InChIKeySGHFWDCWZDKRBZ-UHFFFAOYSA-N
XLogP2.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 61447056
4-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-dimethylpyrazol-5-amine
CID 43280325
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
CID 81056843
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 43374144
N-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
CID 43280902
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine
CID 61442546
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569438
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448917
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-1,3-dimethylpyrazol-5-amine
CID 61452216
4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43527108
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine (CID 43280696) is N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine is CCCCN(C)c1c(CNC2CC2)c(C)nn1C.
What is the InChIKey of N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is SGHFWDCWZDKRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-6-9-17(3)14-13(10-15-12-7-8-12)11(2)16-18(14)4/h12,15H,5-10H2,1-4H3.
What are the key properties of N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine?
N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 43280696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).