1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine

C14H17N3 — CID 61241563

IUPAC1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
SMILESc1cc(-c2ccc(CNCC3CC3)cc2)[nH]n1
InChIInChI=1S/C14H17N3/c1-2-11(1)9-15-10-12-3-5-13(6-4-12)14-7-8-16-17-14/h3-8,11,15H,1-2,9-10H2,(H,16,17)
InChIKeyNRROZOXANMMGQJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds5

About 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine

1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine (PubChem CID 61241563) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
PubChem CID61241563
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
SMILESc1cc(-c2ccc(CNCC3CC3)cc2)[nH]n1
InChIInChI=1S/C14H17N3/c1-2-11(1)9-15-10-12-3-5-13(6-4-12)14-7-8-16-17-14/h3-8,11,15H,1-2,9-10H2,(H,16,17)
InChIKeyNRROZOXANMMGQJ-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 71893433
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiolan-3-amine
CID 61240401
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309951
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 104879109
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
CID 66418255
5-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]furan-2-carbonitrile
CID 115653945

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine (CID 61241563) is 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine is c1cc(-c2ccc(CNCC3CC3)cc2)[nH]n1.
What is the InChIKey of 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
The InChIKey is NRROZOXANMMGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-11(1)9-15-10-12-3-5-13(6-4-12)14-7-8-16-17-14/h3-8,11,15H,1-2,9-10H2,(H,16,17).
What are the key properties of 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine is sourced from PubChem (CID 61241563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).