3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine

C16H29N5O — CID 174936506

IUPAC3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine
SMILESNCC(N)Cc1[nH]ncc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H29N5O/c17-10-13(18)9-16-15(11-19-20-16)12-1-3-14(4-2-12)21-5-7-22-8-6-21/h11-14H,1-10,17-18H2,(H,19,20)
InChIKeyQASMGONPSJMBCS-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.60
Rot. Bonds5

About 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine

3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine (PubChem CID 174936506) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine.

Molecular Properties

Compound Name3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine
PubChem CID174936506
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine
SMILESNCC(N)Cc1[nH]ncc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H29N5O/c17-10-13(18)9-16-15(11-19-20-16)12-1-3-14(4-2-12)21-5-7-22-8-6-21/h11-14H,1-10,17-18H2,(H,19,20)
InChIKeyQASMGONPSJMBCS-UHFFFAOYSA-N
XLogP0.60
TPSA93.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropylmorpholine;ethane
CID 155594914
1-(4-cyclopropyl-1H-pyrazol-5-yl)ethanamine
CID 105422572
2-(4-cyclobutyl-1H-pyrazol-5-yl)acetic acid
CID 105422745
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261
5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine
CID 143937525
5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 142717172
6-(3-morpholin-4-ylpyrrolidin-1-yl)-1H-indazol-5-amine
CID 107490188
5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 142717171
(4-morpholin-4-yl-1-phenylcyclohexyl)methanamine;dihydrochloride
CID 89350366
4-(oxepan-4-yl)morpholine
CID 131201603
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
2-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-ol
CID 64791499

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine?
The IUPAC name of 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine (CID 174936506) is 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine.
What is the SMILES notation for 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine?
The canonical SMILES for 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine is NCC(N)Cc1[nH]ncc1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine?
The InChIKey is QASMGONPSJMBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c17-10-13(18)9-16-15(11-19-20-16)12-1-3-14(4-2-12)21-5-7-22-8-6-21/h11-14H,1-10,17-18H2,(H,19,20).
What are the key properties of 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine?
3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine has a molecular weight of 307.44 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine is sourced from PubChem (CID 174936506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).