(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C17H22ClN3 — CID 114651447

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1CCCc2ccccc21
InChIInChI=1S/C17H22ClN3/c1-2-10-21-17(15(18)11-20-21)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14,16H,2,5,7,9-10,19H2,1H3
InChIKeyNQZVOKAVFDGNNZ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.07
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 114651447) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID114651447
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1CCCc2ccccc21
InChIInChI=1S/C17H22ClN3/c1-2-10-21-17(15(18)11-20-21)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14,16H,2,5,7,9-10,19H2,1H3
InChIKeyNQZVOKAVFDGNNZ-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105183129
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105128520
(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105187091
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640840
(1-propylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63975228
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 114657291
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 114557066
(4-chloro-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114640103
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 114651447) is (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is CCCn1ncc(Cl)c1C(N)C1CCCc2ccccc21.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is NQZVOKAVFDGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-10-21-17(15(18)11-20-21)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14,16H,2,5,7,9-10,19H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 303.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 114651447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).