N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline

C16H19N3 — CID 43740005

IUPACN-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2cccn2)c1
InChIInChI=1S/C16H19N3/c1-3-14(11-15(4-1)19-10-2-9-17-19)18-16(12-5-6-12)13-7-8-13/h1-4,9-13,16,18H,5-8H2
InChIKeyGMKXXCNQSIOLAL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline

N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline (PubChem CID 43740005) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
PubChem CID43740005
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2cccn2)c1
InChIInChI=1S/C16H19N3/c1-3-14(11-15(4-1)19-10-2-9-17-19)18-16(12-5-6-12)13-7-8-13/h1-4,9-13,16,18H,5-8H2
InChIKeyGMKXXCNQSIOLAL-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-Pyrazol-1-yl)aniline
CID 594274
1-Phenylpyrazole
CID 70769
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
4-Pyrazol-1-YL-benzylamine
CID 2776483
2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6484139
3-(1H-pyrazol-1-yl)aniline
CID 21669713
(3-(1H-Pyrazol-1-yl)phenyl)methanamine
CID 730097
Pyrazole, 4-(ethylamino)-1-phenyl-
CID 205181
Pyrazole, 4-(isopropylamino)-1-phenyl-
CID 205182
Pyrazole, 4-(methylamino)-1-phenyl-
CID 209324

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline (CID 43740005) is N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline is c1cc(NC(C2CC2)C2CC2)cc(-n2cccn2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline?
The InChIKey is GMKXXCNQSIOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-14(11-15(4-1)19-10-2-9-17-19)18-16(12-5-6-12)13-7-8-13/h1-4,9-13,16,18H,5-8H2.
What are the key properties of N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline?
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43740005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).