N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine

C14H19N3 — CID 19625908

IUPACN-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1ccc(NCc2cccc(C)c2)n1
InChIInChI=1S/C14H19N3/c1-3-8-17-9-7-14(16-17)15-11-13-6-4-5-12(2)10-13/h4-7,9-10H,3,8,11H2,1-2H3,(H,15,16)
InChIKeyGVFDPGSRCAFYRL-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.21
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine

N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine (PubChem CID 19625908) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine
PubChem CID19625908
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1ccc(NCc2cccc(C)c2)n1
InChIInChI=1S/C14H19N3/c1-3-8-17-9-7-14(16-17)15-11-13-6-4-5-12(2)10-13/h4-7,9-10H,3,8,11H2,1-2H3,(H,15,16)
InChIKeyGVFDPGSRCAFYRL-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625907
N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
CID 122168625
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771
3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol
CID 71854918
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626352
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890009
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715553
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61313338

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine (CID 19625908) is N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine is CCCn1ccc(NCc2cccc(C)c2)n1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine?
The InChIKey is GVFDPGSRCAFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-8-17-9-7-14(16-17)15-11-13-6-4-5-12(2)10-13/h4-7,9-10H,3,8,11H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine?
N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine has a molecular weight of 229.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine is sourced from PubChem (CID 19625908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).